[cig-commits] [commit] update_examples: Updated chemical potentials (a0c9971)

[cig_noreply at geodynamics.org]

Repository : https://github.com/geodynamics/burnman

On branch  : update_examples
Link       : https://github.com/geodynamics/burnman/compare/0000000000000000000000000000000000000000...a0c99715b027e54853c088533e5f9519ab8beb85

>---------------------------------------------------------------

commit a0c99715b027e54853c088533e5f9519ab8beb85
Author: Bob Myhill <myhill.bob at gmail.com>
Date:   Wed Dec 31 21:32:57 2014 +0000

    Updated chemical potentials


>---------------------------------------------------------------

a0c99715b027e54853c088533e5f9519ab8beb85
 burnman/chemicalpotentials.py | 14 ++++++--------
 1 file changed, 6 insertions(+), 8 deletions(-)

diff --git a/burnman/chemicalpotentials.py b/burnman/chemicalpotentials.py
index d9b2f27..81b8286 100644
--- a/burnman/chemicalpotentials.py
+++ b/burnman/chemicalpotentials.py
@@ -80,16 +80,14 @@ def chemical_potentials(assemblage, component_formulae):
     component_potentials=np.dot(endmember_proportions, endmember_potentials)
     return component_potentials
 
-def fugacity(component_formula, standard_material, assemblage):
+def fugacity(standard_material, assemblage):
     """
         Parameters
         ----------
-        component_formula : dictionary
-            Chemical formula dictionary
-
         standard_material: class
             Material class
             set_method and set_state should already have been used
+            material must have a formula as a dictionary parameter
 
         assemblage: list of classes
             List of material classes
@@ -102,21 +100,20 @@ def fugacity(component_formula, standard_material, assemblage):
             the standard material
 
     """
+    component_formula = standard_material.params['formula']
     chemical_potential=chemical_potentials(assemblage, [component_formula])[0]
 
     fugacity=np.exp((chemical_potential - standard_material.gibbs)/(constants.gas_constant*assemblage[0].temperature))
     return fugacity
 
-def relative_fugacity(component_formula, standard_material, assemblage, reference_assemblage):
+def relative_fugacity(standard_material, assemblage, reference_assemblage):
     """
         Parameters
         ----------
-        component_formula : dictionary
-            Chemical formula dictionary
-
         standard_material: class
             Material class
             set_method and set_state should already have been used
+            material must have a formula as a dictionary parameter
 
         assemblage: list of classes
             List of material classes
@@ -133,6 +130,7 @@ def relative_fugacity(component_formula, standard_material, assemblage, referenc
             with respect to the reference_assemblage 
 
     """
+    component_formula = standard_material.params['formula']
     chemical_potential=chemical_potentials(assemblage, [component_formula])[0]
     reference_chemical_potential=chemical_potentials(reference_assemblage, [component_formula])[0]